(1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one, 6,11-dihydro-2-chloro-7-nitro-6-(phenylmethyl)-
Basic information
- CAS
119707-43-6- Standard SMILES
O=C1C2=CNc3cccc([N+](=O)[O-])c3N(Cc3ccccc3)C2Oc2ccc(Cl)cc21- InChIKey
XREBNVXMDITXKU-UHFFFAOYSA-N- Molecular formula
- C23H16ClN3O4
- Average molar mass
- 433.8 g/mol
- Monoisotopic mass
- 433.0829337
Names & identifiers
- Preferred name
- (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one, 6,11-dihydro-2-chloro-7-nitro-6-(phenylmethyl)-
- IUPAC
- 6-benzyl-2-chloro-7-nitro-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one
Names & synonyms
119707-43-6(1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one, 6,11-dihydro-2-chloro-7-nitro-6-(phenylmethyl)-RefChem:203775DTXSID809230816-Benzyl-2-chloro-7-nitro-6,11-dihydro[1]benzopyrano[2,3-b][1,5]benzodiazepin-13(5aH)-one
Database identifiers
- CAS
119707-43-6- PubChem CID
- 3088959
- DTXSID
DTXSID80923081
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 735
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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